Please wait a minute...
Chin. Phys. B, 2011, Vol. 20(12): 123402    DOI: 10.1088/1674-1056/20/12/123402

Influence of rotational excitation and collision energy on the stereo dynamics of the reaction: N(4S)+H2 (v = 0, j = 0, 2, 5, 10)→NH(X3$\Sigma$-)+H

Yu Yong-Jiang(于永江), Xu Qiang(徐强), and Xu Xiu-Wei(徐秀玮)
School of Physics, Ludong University, Yantai 264025, China
Abstract  The N+H2 reaction has attracted a great deal of attention from both the experimental and the theoretical community, and most of the attention has been paid to the first excited state N(2D) atoms in collisions with hydrogen molecules and the scalar properties of the reaction. In this paper, we study the stereo dynamical properties and calculate the reaction cross sections of the N(4S) + H2 (v=0, j=0, 2, 5, 10) → NH(X3$\Sigma$-) + H using the quasi-classical trajectory (QCT) method on an accurate NH2 potential energy surface (PES) reported by Poveda and Varandas [Poveda L A and Varandas A J C 2005 Phys. Chem. Chem. Phys. 7 2867], in a collision energy range of 25 kcal·mol-1-140 kcal·mol-1. Results indicate that the reactant rotational excitation and initial collision energy both have a considerable influence on the distributions of the k-j′ correlation, the k-k′-j′ correlation and k-k′ correlation. The differential cross section is found to be sensitive to collision energy.
Keywords:  quasi-classical trajectory method      vector correlation      differential cross section  
Received:  29 May 2011      Revised:  26 June 2011      Accepted manuscript online: 
PACS:  34.50.Lf (Chemical reactions)  
  82.20.Kh (Potential energy surfaces for chemical reactions)  
Fund: ¤Project supported by the Natural Science Foundation of Shandong Province of China (Grant No. Z2008A02).

Cite this article: 

Yu Yong-Jiang(于永江), Xu Qiang(徐强), and Xu Xiu-Wei(徐秀玮) Influence of rotational excitation and collision energy on the stereo dynamics of the reaction: N(4S)+H2 (v = 0, j = 0, 2, 5, 10)→NH(X3$\Sigma$-)+H 2011 Chin. Phys. B 20 123402

[1] Strobel D F 1983 Int. Rev. Phys. Chem. 3 145
[2] Wilson E H and Atreya S K 2004 J. Geophys. Res. 109 E06002
[3] Prasad K, Yetter R A and Smooke M D 1997 Combust. Sci. Technol. 124 35
[4] Umemoto H, Asai T and Kimura Y 1997 J. Chem. Phys. 106 4985
[5] Chu T S, Han K L and Varandas A J C 2006 J. Phys. Chem. A 110 1666
[6] Balucani N, Alagia M, Cartechini L, Casavecchia P, Volpi G G, Pederson L and Schatz G C 2001 J. Phys. Chem. A 105 2414
[7] Honvault P and Launay J M 1999 J. Chem. Phys. 111 6665
[8] Pederson L A, Schatz G C, Ho T S, Hollebeek T, Rabitz H, Harding L B and Lendvay G 1999 J. Chem. Phys. 110 9091
[9] Koshi M, Yoshimura M, Fukuda K, Matsui H, Saito K, Watanabe M, Imamura A and Chen C 1990 J. Chem. Phys. 93 8703
[10] Takayanagi T, Kurosaki Y and Yokoyama K 2000 Chem. Phys. Lett. 321 106
[11] Zhang S W and Thanh N T 2000 J. Chem. Phys. 113 6149
[12] Pascual R Z, Schatz G C, Lendvay G and Troya D 2002 J. Phys. Chem. A 106 4125
[13] Davidson D F and Hanson R K 1990 Int. J. Chem. Kinet. 22 843
[14] Poveda L A and Varandas A J C 2005 Phys. Chem. Chem. Phys. 7 2867
[15] Werner H J and Knowles P J 1988 J. Chem. Phys. 89 5803
[16] Knowles P J and Werner H J 1988 Chem. Phys. Lett. 145 514
[17] Varandas A J C 1988 Adv. Chem. Phys. 74 255
[18] Han B R, Yang H, Zheng Y J and Varandas A J C 2010 Chem. Phys. Lett. 493 225
[19] Adam L, Hack W, Zhu H, Qu Z W and Schinke R 2005 J. Chem. Phys. 122 114301
[20] Carmona-Novillo E, Gonzalez-Lezana T, Roncero O, Honvault P, Launay J M, Bulut N, Aoiz F J, Banares L, Trottier A and Wrede E 2008 J. Chem. Phys. 128 15
[21] Wang M L, Han K L and He G Z 1998 J. Phys. Chem. A 102 10204
[22] Zhang W Q, Cong S L, Zhang C H, Xu X S and Chen M D 2009 J. Phys. Chem. A 113 4192
[23] Zhao J, Xu Y and Meng Q T 2010 Chin. Phys. B 19 063403
[24] Zhu T, Hu G D, Chen J Z, Liu X G and Zhang Q G 2010 Chin. Phys. B 19 083402
[25] Zhao J and Luo Y 2011 Chin. Phys. B 20 043402
[26] Xu Z H and Zong F J 2011 Chin. Phys. B 20 063104
[27] Li R J, Han K L, Li F E, Lu R C, He G Z and Lou N Q 1994 Chem. Phys. Lett. 220 281
[28] Chu T S 2010 J. Comput. Chem. 31 1385
[29] Mcclelland G M and Herschbach D R 1979 J. Phys. Chem. A 83 1445
[30] Barnwell J D, Loeser J G and Herschbach D R 1983 J. Phys. Chem. A 87 2781
[31] Wang M L, Han K L and He G Z 1998 J. Chem. Phys. 109 5446
[32] Shaferray N E, Orrewing A J and Zare R N 1995 J. Phys. Chem. 99 7591
[33] Brouard M, Lambert H M, Rayner S P and Simons J P 1996 Mol. Phys. 89 403
[34] Han K L, He G Z and Lou N Q 1996 J. Chem. Phys. 105 8699
[35] Chen M D, Han K L and Lou N Q 2002 Chem. Phys. Lett. 357 483
[36] Chen M D, Han K L and Lou N Q 2003 J. Chem. Phys. 118 4463
[37] Ma J J, Chen M D, Cong S L and Han K L 2006 Chem. Phys. 327 529
[38] Han B R, Zong F J, Wang C L, Ma W Y and Zhou J H 2010 Chem. Phys. 374 94
[39] Ju L P, Han K L and Zhang J Z H 2009 J. Comput. Chem. 30 305
[40] Xu Y, Zhao J, Yue D G, Liu H, Zheng X Y and Meng Q T 2009 Chin. Phys. B 18 5308
[41] Chu T S, Zhang Y and Han K L 2006 Int. Rev. Phys. Chem. 25 201
[1] State-to-state dynamics of reactions H+DH'(v = 0,j = 0) → HH'(v',j')+D/HD(v',j')+H' with time-dependent quantum wave packet method
Juan Zhao(赵娟), Da-Guang Yue(岳大光), Lu-Lu Zhang(张路路), Shang Gao(高尚), Zhong-Bo Liu(刘中波), and Qing-Tian Meng(孟庆田). Chin. Phys. B, 2021, 30(7): 073102.
[2] Double differential cross sections for ionization of H by 75 keV proton impact: Assessing the role of correlated wave functions
Jungang Fan(范军刚), Xiangyang Miao(苗向阳), and Xiangfu Jia(贾祥福). Chin. Phys. B, 2020, 29(12): 120301.
[3] Non-adiabatic quantum dynamical studies of Na(3p)+HD(ν=1, j=0)→NaH/NaD+D/H reaction
Yue-Pei Wen(温月佩), Bayaer Buren(布仁巴雅尔), Mao-Du Chen(陈茂笃). Chin. Phys. B, 2019, 28(6): 063401.
[4] Reaction mechanism of D+ND→N+D2 and its state-to-state quantum dynamics
Ting Xu(许婷), Juan Zhao(赵娟), Xian-Long Wang(王宪龙), Qing-Tian Meng(孟庆田). Chin. Phys. B, 2019, 28(2): 023102.
[5] Polarization and exchange effects in elastic scattering of electron with atoms and ions
Zhang-Jin Chen(陈长进), Dan-Dan Cui(崔丹丹). Chin. Phys. B, 2018, 27(5): 053403.
[6] State-to-state dynamics of F(2P)+HO(2Π) →O(3P)+HF(1+) reaction on 13A" potential energy surface
Juan Zhao(赵娟), Hui Wu(吴慧), Hai-Bo Sun(孙海波), Li-Fei Wang(王立飞). Chin. Phys. B, 2018, 27(2): 023102.
[7] Effects of collision energy and rotational quantum number on stereodynamics of the reactions: H(2S)+NH(v=0, j=0, 2, 5, 10)→N(4S)+H2
Wei Wang(王伟), Yong-Jiang Yu(于永江), Gang Zhao(赵刚), Chuan-Lu Yang(杨传路). Chin. Phys. B, 2016, 25(8): 083402.
[8] Differential cross sections of positron—hydrogen collisions
Rong-Mei Yu(于荣梅), Chun-Ying Pu(濮春英), Xiao-Yu Huang(黄晓玉), Fu-Rong Yin(殷复荣), Xu-Yan Liu(刘旭焱), Li-Guang Jiao(焦利光), Ya-Jun Zhou(周雅君). Chin. Phys. B, 2016, 25(7): 073401.
[9] Energy and rotation-dependent stereodynamics of H(2S) + NH(a1Δ)→H2(X1Σg+) + N(2D) reaction
Yong-Qing Li(李永庆), Yun-Fan Yang(杨云帆), Yang Yu(于洋), Yong-jia Zhang(张永嘉), Feng-Cai Ma(马凤才). Chin. Phys. B, 2016, 25(2): 023401.
[10] State-to-state quantum dynamics of N(2D)+HD (v=0, j=0) reaction
Yong Zhang(张勇). Chin. Phys. B, 2016, 25(12): 123104.
[11] Triple differential cross sections of magnesium in doubly symmetric geometry
S Y Sun(孙世艳), X Y Miao(苗向阳), Xiang-Fu Jia(贾祥富). Chin. Phys. B, 2016, 25(1): 013401.
[12] State-to-state quantum dynamics of the N(4S)+H2 (X1Σ+)→NH(X3-)+H(2S) reaction and its reaction mechanism analysis
Zhang Jing (张静), Gao Shou-Bao (高守宝), Wu Hui (吴慧), Meng Qing-Tian (孟庆田). Chin. Phys. B, 2015, 24(8): 083104.
[13] Quasi-classical trajectory study of collision energy effect on the stereodynamics of H + BrO→O + HBr reaction
Xie Ting-Xian (解廷献), Zhang Ying-Ying (张莹莹), Shi Ying (石英), Li Ze-Rui (李泽瑞), Jin Ming-Xing (金明星). Chin. Phys. B, 2015, 24(4): 043402.
[14] Fast-electron-impact ionization process by 3p of hydrogen-like ions in Debye plasmas
Qi Yue-Ying (祁月盈), Ye Dan-Dan (叶丹丹), Wang Jian-Guo (王建国), Qu Yi-Zhi (屈一至). Chin. Phys. B, 2015, 24(3): 033403.
[15] Vector correlations study of the reaction N(2D)+ H2(X1Σg+)→NH(a1Δ)+ H(2S) with different collision energies and reagent vibration excitations
Li Yong-Qing (李永庆), Zhang Yong-Jia (张永嘉), Zhao Jin-Feng (赵金峰), Zhao Mei-Yu (赵美玉), Ding Yong (丁勇). Chin. Phys. B, 2015, 24(11): 113402.
No Suggested Reading articles found!